1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine

C15H23N3 — CID 113458050

IUPAC1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1C(C)C(C)(C)C
InChIInChI=1S/C15H23N3/c1-6-14-17-12-9-11(16)7-8-13(12)18(14)10(2)15(3,4)5/h7-10H,6,16H2,1-5H3
InChIKeyGKPGJHRVGONENE-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.79
Rot. Bonds2

About 1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine

1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine (PubChem CID 113458050) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine
PubChem CID113458050
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1C(C)C(C)(C)C
InChIInChI=1S/C15H23N3/c1-6-14-17-12-9-11(16)7-8-13(12)18(14)10(2)15(3,4)5/h7-10H,6,16H2,1-5H3
InChIKeyGKPGJHRVGONENE-UHFFFAOYSA-N
XLogP3.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine
CID 62508046
2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine
CID 62506379
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine
CID 62508571
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine
CID 62507585
2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine
CID 62507078
5-chloro-2-(chloromethyl)-1-(3,3-dimethylbutan-2-yl)benzimidazole
CID 104829067
(2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol
CID 79244373
1-pentan-2-yl-2-propylbenzimidazol-5-amine
CID 55079982
2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine
CID 79550091
(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol
CID 62594152
1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine
CID 62508066
1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine
CID 55080352

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine?
The IUPAC name of 1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine (CID 113458050) is 1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine is CCc1nc2cc(N)ccc2n1C(C)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine?
The InChIKey is GKPGJHRVGONENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-6-14-17-12-9-11(16)7-8-13(12)18(14)10(2)15(3,4)5/h7-10H,6,16H2,1-5H3.
What are the key properties of 1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine?
1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine has a molecular weight of 245.37 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine is sourced from PubChem (CID 113458050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).